2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one

C90H96ClN23O9 — CID 157246236

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one (PubChem CID 157246236) has the molecular formula C90H96ClN23O9 and a molecular weight of 1679.36 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one
• PubChem CID: 157246236
• Molecular Formula: C90H96ClN23O9
• Molecular Weight: 1679.36 g/mol
• Exact Mass: 1677.74
• IUPAC Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one
• SMILES: CCN1CCN(c2ccc3nc(-c4nc5cc(C)nc(C)c5o4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ncc4n3)cc(Cl)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(C6COC6)CC5)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCN(CCO)CC5)ccc4n3)cc2o1
• InChI: InChI=1S/C24H26N6O2.C22H23ClN6O2.C22H24N6O2.C22H23N5O3/c1-15-11-30-22(16(2)25-15)9-21(27-30)20-10-24(31)29-12-18(3-4-23(29)26-20)17-5-7-28(8-6-17)19-13-32-14-19;1-14-11-28-12-16(8-17(23)22(28)25-14)18-9-21(31)29-13-19(24-10-20(29)26-18)15-2-4-27(5-3-15)6-7-30;1-4-26-7-9-27(10-8-26)16-5-6-19-24-18(12-20(29)28(19)13-16)22-25-17-11-14(2)23-15(3)21(17)30-22;1-14-23-18-3-2-16(12-20(18)30-14)19-13-22(29)27-21(24-19)5-4-17(25-27)15-6-8-26(9-7-15)10-11-28/h3-4,9-12,17,19H,5-8,13-14H2,1-2H3;8-13,15,30H,2-7H2,1H3;5-6,11-13H,4,7-10H2,1-3H3;2-5,12-13,15,28H,6-11H2,1H3
• InChIKey: AVULKBGDTAIQTR-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 341.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.36
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one?

The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one (CID 157246236) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one.

What is the SMILES notation for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one?

The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one is CCN1CCN(c2ccc3nc(-c4nc5cc(C)nc(C)c5o4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ncc4n3)cc(Cl)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(C6COC6)CC5)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCN(CCO)CC5)ccc4n3)cc2o1.

What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one?

The InChIKey is AVULKBGDTAIQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C22H23ClN6O2.C22H24N6O2.C22H23N5O3/c1-15-11-30-22(16(2)25-15)9-21(27-30)20-10-24(31)29-12-18(3-4-23(29)26-20)17-5-7-28(8-6-17)19-13-32-14-19;1-14-11-28-12-16(8-17(23)22(28)25-14)18-9-21(31)29-13-19(24-10-20(29)26-18)15-2-4-27(5-3-15)6-7-30;1-4-26-7-9-27(10-8-26)16-5-6-19-24-18(12-20(29)28(19)13-16)22-25-17-11-14(2)23-15(3)21(17)30-22;1-14-23-18-3-2-16(12-20(18)30-14)19-13-22(29)27-21(24-19)5-4-17(25-27)15-6-8-26(9-7-15)10-11-28/h3-4,9-12,17,19H,5-8,13-14H2,1-2H3;8-13,15,30H,2-7H2,1H3;5-6,11-13H,4,7-10H2,1-3H3;2-5,12-13,15,28H,6-11H2,1H3.

What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one?

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one has a molecular weight of 1679.36 g/mol, XLogP of 10.17, 14 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazino[1,2-a]pyrimidin-4-one;2-(4,6-dimethyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 157246236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).